N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide | 118684-41-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
• CAS: 118684-41-6
• 化学式: C₄₈H₆₇N₆O₉PSi
• 分子量: 931.154
• InChiKey: GQXDBSFXGQUFKG-VCGWOZLGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.41
• 重原子数：
  65.0
• 可旋转键数：
  19.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  160.52
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide 在 ammonium hydroxide 、 adamantoylcarbonyl chloride 、 Amberlite IR-120 sulfonic acid resin 、 三氟乙酸吡啶 作用下， 以 吡啶 、 甲醇 、 乙腈 为溶剂， 反应 49.53h， 生成 二(3',5')-环二鸟苷酸
  参考文献：
  名称：

  c-di-GMP Displays A Monovalent Metal Ion-Dependent Polymorphism

  摘要：

  Cyclic diguanosine monophosphate (c-di-GMP) is known to be an important signaling molecule that regulates the formation of bacterial biofilms. We demonstrate here by UV, CD, and NMR that it displays a surprising polymorphism that varies with the monovalent counterion and is consistent with the formation of a G-quartet structure in K+ and a stacked structure in Li+ or Na+. The ability of this rigid molecule to adopt different alignments may be important to its biological role.

  DOI：

  10.1021/ja0449832
• 作为产物：
  描述：

  N,N,N,N-四异丙基二氨基磷酸甲酯 、 5'-O-[双(4-甲氧基苯基)苯基甲基]-2'-O-[(叔丁基)二甲基硅基]-N-(2-甲基-1-氧代丙基)鸟苷 在 三氟乙酸吡啶 作用下， 以 硝基甲烷 为溶剂， 反应 1.0h， 以100%的产率得到N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
  参考文献：
  名称：

  c-di-GMP Displays A Monovalent Metal Ion-Dependent Polymorphism

  摘要：

  Cyclic diguanosine monophosphate (c-di-GMP) is known to be an important signaling molecule that regulates the formation of bacterial biofilms. We demonstrate here by UV, CD, and NMR that it displays a surprising polymorphism that varies with the monovalent counterion and is consistent with the formation of a G-quartet structure in K+ and a stacked structure in Li+ or Na+. The ability of this rigid molecule to adopt different alignments may be important to its biological role.

  DOI：

  10.1021/ja0449832

文献信息

• MILECKI, JAN;DEMBEK, PIOTR;ANTKOWIAK, WIESLAW Z.;GDANIEC, ZOFIA;MIELEWCZY+, NUCLEOSIDES AND NUCLEOTIDES, 8,(1989) N, C. 463-474
  作者：MILECKI, JAN、DEMBEK, PIOTR、ANTKOWIAK, WIESLAW Z.、GDANIEC, ZOFIA、MIELEWCZY+

  DOI：——

  日期：——